N-[2-(3-propoxypiperidin-1-yl)propyl]pentan-1-amine

C16H34N2O — CID 55087817

IUPACN-[2-(3-propoxypiperidin-1-yl)propyl]pentan-1-amine
SMILESCCCCCNCC(C)N1CCCC(OCCC)C1
InChIInChI=1S/C16H34N2O/c1-4-6-7-10-17-13-15(3)18-11-8-9-16(14-18)19-12-5-2/h15-17H,4-14H2,1-3H3
InChIKeyLRGIKMBEOJAGFM-UHFFFAOYSA-N
MW270.46 g/mol
LogP3.05
Rot. Bonds10

About N-[2-(3-propoxypiperidin-1-yl)propyl]pentan-1-amine

N-[2-(3-propoxypiperidin-1-yl)propyl]pentan-1-amine (PubChem CID 55087817) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is N-[2-(3-propoxypiperidin-1-yl)propyl]pentan-1-amine.

Molecular Properties

Compound NameN-[2-(3-propoxypiperidin-1-yl)propyl]pentan-1-amine
PubChem CID55087817
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC NameN-[2-(3-propoxypiperidin-1-yl)propyl]pentan-1-amine
SMILESCCCCCNCC(C)N1CCCC(OCCC)C1
InChIInChI=1S/C16H34N2O/c1-4-6-7-10-17-13-15(3)18-11-8-9-16(14-18)19-12-5-2/h15-17H,4-14H2,1-3H3
InChIKeyLRGIKMBEOJAGFM-UHFFFAOYSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-propoxypiperidin-1-yl)propyl]pentan-1-amine?
The IUPAC name of N-[2-(3-propoxypiperidin-1-yl)propyl]pentan-1-amine (CID 55087817) is N-[2-(3-propoxypiperidin-1-yl)propyl]pentan-1-amine.
What is the SMILES notation for N-[2-(3-propoxypiperidin-1-yl)propyl]pentan-1-amine?
The canonical SMILES for N-[2-(3-propoxypiperidin-1-yl)propyl]pentan-1-amine is CCCCCNCC(C)N1CCCC(OCCC)C1.
What is the InChIKey of N-[2-(3-propoxypiperidin-1-yl)propyl]pentan-1-amine?
The InChIKey is LRGIKMBEOJAGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-4-6-7-10-17-13-15(3)18-11-8-9-16(14-18)19-12-5-2/h15-17H,4-14H2,1-3H3.
What are the key properties of N-[2-(3-propoxypiperidin-1-yl)propyl]pentan-1-amine?
N-[2-(3-propoxypiperidin-1-yl)propyl]pentan-1-amine has a molecular weight of 270.46 g/mol, XLogP of 3.05, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-propoxypiperidin-1-yl)propyl]pentan-1-amine is sourced from PubChem (CID 55087817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).